N-[1-[[4-azanyl-4-cyclohexyl-1-(1H-imidazol-5-yl)-9-methyl-6-oxidanyl-3-oxidanylidene-decan-2-yl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[1-[[4-azanyl-4-cyclohexyl-1-(1H-imidazol-5-yl)-9-methyl-6-oxidanyl-3-oxidanylidene-decan-2-yl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[2-[[3-amino-3-cyclohexyl-5-hydroxy-1-(1H-imidazol-5-ylmethyl)-8-methyl-2-oxo-nonyl]-methyl-amino]-1-benzyl-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[1-[[4-amino-4-cyclohexyl-6-hydroxy-1-(1H-imidazol-5-yl)-9-methyl-3-oxodecan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[1-[[4-amino-4-cyclohexyl-6-hydroxy-1-(1H-imidazol-5-yl)-9-methyl-3-oxodecan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[2-[[3-amino-3-cyclohexyl-5-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-8-methyl-nonyl]-methyl-amino]-1-benzyl-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C40H56N6O4 MolecularWeight: 684.91044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC(C1CCCCC1)(C(=O)C(CC2=CN=CN2)N(C)C(=O)C(CC3=CC=CC=C3)NC(=O)N4CCC5=CC=CC=C5C4)N)O

Isomeric SMILES

CC(C)CCC(CC(C1CCCCC1)(C(=O)C(CC2=CN=CN2)N(C)C(=O)C(CC3=CC=CC=C3)NC(=O)N4CCC5=CC=CC=C5C4)N)O

InChI

InChI=1S/C40H56N6O4/c1-28(2)18-19-34(47)24-40(41,32-16-8-5-9-17-32)37(48)36(23-33-25-42-27-43-33)45(3)38(49)35(22-29-12-6-4-7-13-29)44-39(50)46-21-20-30-14-10-11-15-31(30)26-46/h4,6-7,10-15,25,27-28,32,34-36,47H,5,8-9,16-24,26,41H2,1-3H3,(H,42,43)(H,44,50)